Interaction of 8-anilinonaphthalene-1-sulfonate with SARS-CoV-2 main protease and its application as a fluorescent probe for inhibitor identification
Peerapon Deetanya, Kowit Hengphasatporn, Patcharin Wilasluck, Yasuteru Shigeta, Thanyada Rungrotmongkol, Kittikhun Wangkanont
Abstract
was explored with molecular modeling. Our results suggested that ANS could be employed in a competitive binding assay to facilitate the identification of novel SARS-CoV-2 antiviral compounds.
Topics & Concepts
ProteaseChemistryRutinNatural productBiochemistryPeptideFluorescenceCoronavirus disease 2019 (COVID-19)Competitive bindingLigand binding assaySevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)Binding siteEnzymeCombinatorial chemistryMedicineDiseasePhysicsInfectious disease (medical specialty)AntioxidantQuantum mechanicsReceptorPathologyComputational Drug Discovery MethodsBiochemical and Structural CharacterizationSynthesis and biological activity